1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine

C16H23NO — CID 3056665

IUPAC1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine
SMILESCOc1cccc(C2=C(CN(C)C)CCCC2)c1
InChIInChI=1S/C16H23NO/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3/h6,8-9,11H,4-5,7,10,12H2,1-3H3
InChIKeyFBIKAGZLTPYSQW-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.58
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine

1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine (PubChem CID 3056665) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine
PubChem CID3056665
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine
SMILESCOc1cccc(C2=C(CN(C)C)CCCC2)c1
InChIInChI=1S/C16H23NO/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3/h6,8-9,11H,4-5,7,10,12H2,1-3H3
InChIKeyFBIKAGZLTPYSQW-UHFFFAOYSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine (CID 3056665) is 1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine is COc1cccc(C2=C(CN(C)C)CCCC2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine?
The InChIKey is FBIKAGZLTPYSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3/h6,8-9,11H,4-5,7,10,12H2,1-3H3.
What are the key properties of 1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine?
1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 3056665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).